General Information of the Compound
| Compound ID |
CP0550298
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| Compound Name |
US9200001, 85
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| Structure |
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| Formula |
C22H23N7
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| Molecular Weight |
385.475
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| Canonical SMILES |
Cc1nc(C2CC2)n(n1)-c1cc(nc(C)n1)[C@H]1C[C@@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C22H23N7/c1-12-23-18(11-20(24-12)29-21(14-8-9-14)25-13(2)27-29)15-10-16(15)22-26-17-6-4-5-7-19(17)28(22)3/h4-7,11,14-16H,8-10H2,1-3H3/t15-,16-/m0/s1
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| InChIKey |
FBECQZNGTMMCIF-HOTGVXAUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound